6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one

C21H23NO2 — CID 58452269

IUPAC6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one
SMILESCC(=O)c1ccc(/C(=C\C2CCCC2)c2ccc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23NO2/c1-14-7-12-20(22-21(14)24)19(13-16-5-3-4-6-16)18-10-8-17(9-11-18)15(2)23/h7-13,16H,3-6H2,1-2H3,(H,22,24)/b19-13+
InChIKeyILMBYBWJUNGNHO-CPNJWEJPSA-N
MW321.42 g/mol
LogP4.51
Rot. Bonds4

About 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one

6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one (PubChem CID 58452269) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one
PubChem CID58452269
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one
SMILESCC(=O)c1ccc(/C(=C\C2CCCC2)c2ccc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C21H23NO2/c1-14-7-12-20(22-21(14)24)19(13-16-5-3-4-6-16)18-10-8-17(9-11-18)15(2)23/h7-13,16H,3-6H2,1-2H3,(H,22,24)/b19-13+
InChIKeyILMBYBWJUNGNHO-CPNJWEJPSA-N
XLogP4.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one (CID 58452269) is 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one is CC(=O)c1ccc(/C(=C\C2CCCC2)c2ccc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is ILMBYBWJUNGNHO-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14-7-12-20(22-21(14)24)19(13-16-5-3-4-6-16)18-10-8-17(9-11-18)15(2)23/h7-13,16H,3-6H2,1-2H3,(H,22,24)/b19-13+.
What are the key properties of 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one?
6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-(4-acetylphenyl)-2-cyclopentylethenyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58452269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).